1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride

C15H20ClNO — CID 70273507

IUPAC1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride
SMILESCl.O=C1CCN(c2ccccc2)C12CCCCC2
InChIInChI=1S/C15H19NO.ClH/c17-14-9-12-16(13-7-3-1-4-8-13)15(14)10-5-2-6-11-15;/h1,3-4,7-8H,2,5-6,9-12H2;1H
InChIKeyIXYRBFOBRNLUDY-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.59
Rot. Bonds1

About 1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride

1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride (PubChem CID 70273507) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride.

Molecular Properties

Compound Name1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride
PubChem CID70273507
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride
SMILESCl.O=C1CCN(c2ccccc2)C12CCCCC2
InChIInChI=1S/C15H19NO.ClH/c17-14-9-12-16(13-7-3-1-4-8-13)15(14)10-5-2-6-11-15;/h1,3-4,7-8H,2,5-6,9-12H2;1H
InChIKeyIXYRBFOBRNLUDY-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride?
The IUPAC name of 1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride (CID 70273507) is 1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride.
What is the SMILES notation for 1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride?
The canonical SMILES for 1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride is Cl.O=C1CCN(c2ccccc2)C12CCCCC2.
What is the InChIKey of 1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride?
The InChIKey is IXYRBFOBRNLUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.ClH/c17-14-9-12-16(13-7-3-1-4-8-13)15(14)10-5-2-6-11-15;/h1,3-4,7-8H,2,5-6,9-12H2;1H.
What are the key properties of 1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride?
1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride has a molecular weight of 265.78 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride is sourced from PubChem (CID 70273507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).